[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate

C14H21NO5S3 — CID 75386503

IUPAC[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate
SMILESCCC(SC)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1
InChIInChI=1S/C14H21NO5S3/c1-4-12(21-2)14(17)20-9-11(16)13-6-5-10(22-13)7-8-15-23(3,18)19/h5-6,12,15H,4,7-9H2,1-3H3
InChIKeyAGCFDUHOYRLHTL-UHFFFAOYSA-N
MW379.53 g/mol
LogP1.71
Rot. Bonds10

About [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate (PubChem CID 75386503) has the molecular formula C14H21NO5S3 and a molecular weight of 379.53 g/mol. Its IUPAC name is [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate.

Molecular Properties

Compound Name[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate
PubChem CID75386503
Molecular FormulaC14H21NO5S3
Molecular Weight379.53 g/mol
Exact Mass379.06
IUPAC Name[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate
SMILESCCC(SC)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1
InChIInChI=1S/C14H21NO5S3/c1-4-12(21-2)14(17)20-9-11(16)13-6-5-10(22-13)7-8-15-23(3,18)19/h5-6,12,15H,4,7-9H2,1-3H3
InChIKeyAGCFDUHOYRLHTL-UHFFFAOYSA-N
XLogP1.71
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 55448822
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-cyanophenoxy)propanoate
CID 55448516
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(thiophene-2-carbonylamino)propanoate
CID 55485219
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 26971328
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate
CID 55934875
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27313704
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] adamantane-2-carboxylate
CID 55449045
N-[2-[5-[2-(4-methylsulfonylphenoxy)acetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 55450165
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 3-(propylsulfonylamino)benzoate
CID 39977010
N-[2-[5-[2-(4-propan-2-ylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 39044976
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 27315933
N-[2-[5-[2-(2,4-dimethylphenyl)sulfanylacetyl]thiophen-2-yl]ethyl]methanesulfonamide
CID 27352472

Frequently Asked Questions

What is the IUPAC name of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate?
The IUPAC name of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate (CID 75386503) is [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate.
What is the SMILES notation for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate?
The canonical SMILES for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate is CCC(SC)C(=O)OCC(=O)c1ccc(CCNS(C)(=O)=O)s1.
What is the InChIKey of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate?
The InChIKey is AGCFDUHOYRLHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5S3/c1-4-12(21-2)14(17)20-9-11(16)13-6-5-10(22-13)7-8-15-23(3,18)19/h5-6,12,15H,4,7-9H2,1-3H3.
What are the key properties of [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate?
[2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate has a molecular weight of 379.53 g/mol, XLogP of 1.71, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[2-(methanesulfonamido)ethyl]thiophen-2-yl]-2-oxoethyl] 2-methylsulfanylbutanoate is sourced from PubChem (CID 75386503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).